0 mol 8 unq 0 iso 0 dist 6.4754 6.06114 7.45487 7.06064 9.62879 5.43751 11.9453 8.4069 9.49106 8.96553 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 6.57999 5.24855 7.45487 7.35767 9.62879 5.43751 4.92734 8.4069 9.49106 8.96553 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.84569 9.57729 8.67719 5.46269 5.46498 6.53177 9.59856 5.32694 5.84479 7.63133 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 6.84569 9.57729 8.67719 5.46269 5.46498 6.53177 10.5516 5.74188 13.4596 8.71745 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 17.1139 9.90845 16.6906 8.86116 9.59761 17.2959 10.0952 10.6042 6.86014 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.72688 12.2379 8.54906 15.0368 9.01083 12.3193 14.1203 5.53837 12.848 7.2658 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 7.51061 5.07258 8.21889 5.29855 7.34473 5.5332 11.8872 7 9.74643 8.58044 numMergedOcc 0
7 mol 109 unq 1 iso 0 dist 7.51061 5.07258 8.21889 5.29855 7.34473 5.5332 10.7963 8.40993 6.86702 9.97763 numMergedOcc 0
8 mol 117 unq 0 iso 0 dist 7.0318 10.7285 7.70533 5.21051 7.90328 14.3476 11.0698 7.22206 14.7579 7.83136 numMergedOcc 0
9 mol 117 unq 1 iso 0 dist 7.0318 10.7285 7.70533 5.21051 7.90328 14.3476 10.5123 9.3584 16.223 7.0603 numMergedOcc 0
10 mol 131 unq 0 iso 0 dist 8.99949 7.31861 8.97145 11.3502 6.85062 14.257 18.591 10.7062 19.4361 8.40312 numMergedOcc 0
11 mol 131 unq 1 iso 0 dist 8.99949 7.31861 8.97145 11.3502 6.85062 14.257 15.0798 6.63273 14.5129 7.12972 numMergedOcc 0
12 mol 131 unq 2 iso 0 dist 8.99949 4.55152 6.5874 11.3502 6.85062 7.60371 18.591 10.7062 15.1013 8.40312 numMergedOcc 0
13 mol 131 unq 3 iso 0 dist 8.99949 4.55152 6.5874 11.3502 6.85062 7.60371 15.0798 6.63273 11.4628 7.12972 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 9.68507 4.87536 6.71202 9.75709 7.66148 5.70205 10.2339 10.1658 10.0734 8.94056 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 7.98018 5.21836 9.16591 4.68187 9.83699 9.27577 10.0213 8.38403 13.6067 7.44554 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 7.98018 5.21836 9.16591 4.68187 9.83699 9.27577 11.8093 11.2719 16.4964 8.94056 numMergedOcc 0
17 mol 224 unq 0 iso 0 dist 9.73411 13.9782 9.33771 9.81806 6.57273 4.91322 10.1632 5.0744 7.39839 6.60589 numMergedOcc 0
18 mol 224 unq 1 iso 0 dist 9.73411 13.9782 9.33771 5.99647 5.78342 12.979 10.1632 5.0744 7.39839 9.16166 numMergedOcc 0
19 mol 224 unq 2 iso 0 dist 9.73411 13.9782 9.33771 5.99647 5.78342 12.979 7.75485 5.60236 13.527 5.81334 numMergedOcc 0
20 mol 224 unq 3 iso 0 dist 7.07564 14.788 9.33771 10.8463 6.57273 4.91322 12.0295 5.0744 7.39839 6.60589 numMergedOcc 0
21 mol 224 unq 4 iso 0 dist 7.07564 14.788 9.33771 5.44863 5.78342 12.979 12.0295 5.0744 7.39839 9.16166 numMergedOcc 0
22 mol 224 unq 5 iso 0 dist 7.07564 14.788 9.33771 5.44863 5.78342 12.979 9.11052 5.60236 13.527 5.81334 numMergedOcc 0
23 mol 229 unq 0 iso 0 dist 8.8557 9.61847 9.84492 5.65373 8.22528 11.9226 5.00457 5.57838 10.7645 7.03423 numMergedOcc 0
24 mol 231 unq 0 iso 0 dist 8.91036 14.3729 7.79865 10.613 7.37839 5.3251 12.2364 4.06055 6.14348 8.40182 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.64276 12.2489 5.24313 7.45873 7.31233 12.1448 4.87108 5.34096 10.2654 6.22714 numMergedOcc 0
26 mol 261 unq 0 iso 0 dist 9.95681 11.6193 9.62828 5.79827 8.02547 10.5691 10.8774 10.0727 17.6306 8.43057 numMergedOcc 0
27 mol 261 unq 1 iso 0 dist 9.95681 11.6193 9.62828 5.79827 8.02547 10.5691 9.05762 5.51688 13.3636 6.05727 numMergedOcc 0
28 mol 272 unq 0 iso 0 dist 7.31993 9.00526 9.1118 10.4451 8.46116 6.72149 12.3168 5.40809 10.342 8.33638 numMergedOcc 0
